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Lipid 20b

CAT: 0013-GTR19256447-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19256447-02Size:10 mg
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Description
Lipid 20b, a thiophene ionizable cationic lipid, is utilized in creating lipid nanoparticles (LNPs) for in vivo mRNA delivery. LNPs incorporating lipid 20b and encapsulating mRNA for a luciferase reporter result in bioluminescence observed in the lungs, spleen, and retina of mice.
CAS Number
2921586-65-2
Field of Research
Metabolism Research
Smiles
C (OCCCCCCCC/C=C\C/C=C\CCCCC) (=O) C=1C2=C (SC1NC (CCCCCCC/C=C\C/C=C\CCCCC) =O) CNCC2
Molecular Formula
C44H72N2O3S
Molecular Weight
709.12
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Lipid 20b
CAS Number2921586-65-2
PubChem CID172149764
IUPAC Name[(9Z,12Z)-octadeca-9,12-dienyl] 2-[[(9Z,12Z)-octadeca-9,12-dienoyl]amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
Molecular FormulaC44H72N2O3S
Molecular Weight709.1
XLogP15
Topological Polar Surface Area95.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count32
Heavy Atom Count50
Formal Charge0
Complexity961
SMILES
CCCCC/C=C\C/C=C\CCCCCCCCOC(=O)C1=C(SC2=C1CCNC2)NC(=O)CCCCCCC/C=C\C/C=C\CCCCC
InChI
InChI=1S/C44H72N2O3S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37-49-44(48)42-39-35-36-45-38-40(39)50-43(42)46-41(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,45H,3-10,15-16,21-38H2,1-2H3,(H,46,47)/b13-11-,14-12-,19-17-,20-18-
InChIKey
IGCXVXZVYNWGQF-MAZCIEHSSA-N
Chemical Structure
2D Structure
2D structure of Lipid 20b
CAS: 2921586-65-2
CID: 172149764
Formula: C44H72N2O3S
MW: 709.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight709.1
XLogP315
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count32
Exact Mass708.52636534
Monoisotopic Mass708.52636534
Topological Polar Surface Area95.7 Ų
Heavy Atom Count50
Formal Charge0
Complexity961
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count4
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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